⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6339247 | 0.85 | ALDH1A1 (0.42) | — | |
| SCHEMBL6848394 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL11483439 | 0.78 | — | — | |
| SCHEMBL7752450 | 0.76 | — | — | |
| SCHEMBL13103427 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7747372 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL22744874 | 0.74 | — | — | |
| SCHEMBL21265930 | 0.74 | — | — | |
| SCHEMBL2267034 | 0.71 | TSHR (0.45) | — | |
| SCHEMBL955235 | 0.71 | TSHR (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001036367-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |
| WO-2001036372-A1 | ORGANIC COMPOUNDS AND THEIR USE IN THE CONTROL OF ECTOPARASITES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |
| WO-2001036371-A1 | CARBONIC ACID DERIVATIVES AND THEIR USE AS ECTOPARASITICIDAL COMPOSITION | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |